2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one

C16H13FN2O — CID 134105852

IUPAC2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one
SMILESCn1cc(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-18-11-15(12-5-3-2-4-6-12)16(20)19(18)14-9-7-13(17)8-10-14/h2-11H,1H3
InChIKeyFIESOGHWEDOXPP-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one

2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one (PubChem CID 134105852) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one
PubChem CID134105852
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one
SMILESCn1cc(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-18-11-15(12-5-3-2-4-6-12)16(20)19(18)14-9-7-13(17)8-10-14/h2-11H,1H3
InChIKeyFIESOGHWEDOXPP-UHFFFAOYSA-N
XLogP2.98
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one (CID 134105852) is 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one is Cn1cc(-c2ccccc2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one?
The InChIKey is FIESOGHWEDOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-18-11-15(12-5-3-2-4-6-12)16(20)19(18)14-9-7-13(17)8-10-14/h2-11H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one?
2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one has a molecular weight of 268.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one is sourced from PubChem (CID 134105852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).